| Stem definition | Drug id | CAS RN |
|---|---|---|
| 13 | 61661-06-1 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.98 | acidic |
| pKa2 | 10.59 | acidic |
| pKa3 | 13.49 | acidic |
| pKa4 | 9.03 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | AGONIST | DRUGBANK | CHEMBL |
| ID | Source |
|---|---|
| 0PE6UXH3WG | UNII |
| D04708 | KEGG_DRUG |
| 129388-07-4 | SECONDARY_CAS_RN |
| C5237977 | UMLSCUI |
| CHEMBL1367478 | ChEMBL_ID |
| 688441 | PUBCHEM_CID |
| CHEMBL2106421 | ChEMBL_ID |
| 6820 | INN_ID |
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